smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNCCCN2CCCC2=O)cc1	ZINC000020155095	553598909	/nfs/dbraw/zinc/59/89/09/553598909.db2.gz	XBPICCXJUVZPJY-UHFFFAOYSA-N	0	3	511.535	2.564	50	5		KFBAHN
Cc1ccc(CN2CCN(C(=O)c3[nH]nc4c3CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC4)CC2)cc1	ZINC000034809655	554009366	/nfs/dbraw/zinc/00/93/66/554009366.db2.gz	RLSRJERSWGOKJR-UHFFFAOYSA-N	0	3	502.575	2.712	50	5		KFBAHN
Cc1ccc(CN2CCN(C(=O)c3[nH]nc4c3CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC4)CC2)cc1	ZINC000034809656	554009514	/nfs/dbraw/zinc/00/95/14/554009514.db2.gz	BADJJWSPROFTTD-UHFFFAOYSA-N	0	3	502.575	2.712	50	5		KFBAHN
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000039932491	554281263	/nfs/dbraw/zinc/28/12/63/554281263.db2.gz	YDLFSWAIHVUCAY-UHFFFAOYSA-N	0	3	504.609	2.834	50	5		KFBAHN